input word = C00064114

Metabolite InformationStructural formula
Name Alatanin E
Formula C44H51O25
Mw 979.27194218
CAS RN 1978410-76-2
C_ID C00064114
InChIKey XWTXJEWORMRSGA-DYFJLBCISA-O
InChICode InChI=1S/C44H50O25/c1-60-24-7-16(8-25(61-2)31(24)51)3-6-30(50)62-14-29-34(54)41(69-44-38(58)35(55)32(52)27(13-45)66-44)39(59)42(67-29)63-15-28-33(53)36(56)37(57)43(68-28)65-26-12-19-21(48)10-18(46)11-23(19)64-40(26)17-4-5-20(47)22(49)9-17/h3-12,27-29,32-39,41-45,52-59H,13-15H2,1-2H3,(H4-,46,47,48,49,50,51)/p+1/t27-,28-,29-,32-,33-,34-,35+,36+,37-,38-,39-,41+,42-,43-,44+/m1/s1
SMILES COc1cc(C=CC(=O)OCC2OC(OCC3OC(Oc4cc5c(O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea alata Ref.
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